General Information of the Compound
Compound ID
CP0437481
Compound Name
3-(2,4-Dichloro-phenyl)-2,5-dimethyl-7-piperidin-1-yl-pyrazolo[1,5-a]pyrimidine
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Structure
Formula
C19H20Cl2N4
Molecular Weight
375.303
Canonical SMILES
Cc1nn2c(cc(C)nc2c1-c1ccc(Cl)cc1Cl)N1CCCCC1
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InChI
InChI=1S/C19H20Cl2N4/c1-12-10-17(24-8-4-3-5-9-24)25-19(22-12)18(13(2)23-25)15-7-6-14(20)11-16(15)21/h6-7,10-11H,3-5,8-9H2,1-2H3
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InChIKey
IWHZSCUYNSODEE-UHFFFAOYSA-N
Physicochemical Property
logP
5.31024
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
33.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
25

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 44305246
ChEMBL ID
CHEMBL303593
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01588, Corticotropin-releasing factor receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 41 nM
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